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CAS 24936-41-2 POLY(4-METHYL STYRENE) molecular structure lightbox
CAS RN: 24936-41-2

POLY(4-METHYL STYRENE)

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2 package records2 with current stock1 grade group
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Batchno.20250901 1g In stock Inquiry
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  • Product code: starshine_CAS24936-41-2
  • Purity/Analytical Methods: >99.0%
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24936-41-2 / 1-ethenyl-4-methylbenzene

Standard CAS: 24936-41-2 Multi CAS: No
Basic Information Physical Properties Computed Properties

Basic Information

CAS
24936-41-2
Multi CAS
No
Molecular Formula
C9H10
Molecular Weight
118.180000
Exact Mass
118.078250
SMILES
CC1=CC=C(C=C1)C=C
InChI
InChI=1S/C9H10/c1-3-9-6-4-8(2)5-7-9/h3-7H,1H2,2H3
InChIKey
JLBJTVDPSNHSKJ-UHFFFAOYSA-N

Physical Properties

Melting Point
-37.8 °C
Boiling Point
172 °C
Density
0.9173 g/cu cm at 25 °C
Physical Description
P-methylstyrene appears as a clear colorless liquid with an aromatic odor. Usually shipped with an inhibitor such as tert-butyl catechol added May polymerize if contaminated or subjected to heat. If polymerization takes place inside a closed container, the container may rupture violently. Vapors irritate the mucous membranes. Less dense than water and insoluble in water. Hence floats on water. Used in making plastics, especially as a monomer for polyesters. Liquid Colorless liquid; [ICSC]
Appearance
Liquid
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
9
Aromatic heavy atom count
6
Fraction Csp3
0.11
Rotatable bonds
1
Molar refractivity
41.27
TPSA
0.0000

LogP / Solubility

WLOGP
2.64
MLOGP
2.31
XLogP3
3.6
Consensus LogP
2.85
Log S (ESOL)
-2.66
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.43
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.74
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.57

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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